uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看IDENTITY
结构与身份
- 标准SMILES
- COc1cccc(C(=O)c2ccncc2)c1OC
- InChIKey
- JXRNNYSLIUEYHF-UHFFFAOYSA-N
- 分子式
- C14H13NO3
- 平均分子量
- 243.26 g/mol
- 单同位素质量
- 243.08954328
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 48.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 276
ALIASES
名称与别名
243640-28-04-(2,3-dimethoxybenzoyl)pyridineNSC239987(2,3-dimethoxyphenyl)pyridin-4-ylmethanoneMethanone,(2,3-dimethoxyphenyl)-4-pyridinyl-SCHEMBL4230721DTXSID30330281JXRNNYSLIUEYHF-UHFFFAOYSA-N(2,3-Dimethoxyphenyl)-4-pyridinylmethanone(2,3-dimethoxyphenyl)-(4-pyridyl)methanone(2,3-Dimethoxyphenyl)(pyridin-4-yl)methanoneMethanone, (2,3-dimethoxyphenyl)-4-pyridinyl-
REACTIONS
参与反应
uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713627B2
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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